UCSF

ZINC36999749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 5.93 -9.19 2 6 0 95 306.705 4
Hi High (pH 8-9.5) 2.81 6.7 -40.95 1 6 -1 98 305.697 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )